Vitas-M small molecule compound
4-({4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STL494981
SMILES OC(=O)c1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H18N2O6 MW 442.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O6/c28-22-21(23(29)27(25(32)26-22)19-4-2-1-3-5-19)14-16-8-12-20(13-9-16)33-15-17-6-10-18(11-7-17)24(30)31/h1-14H,15H2,(H,30,31)(H,26,28,32)/b21-14+InChIKey
VUPVHPPYNMRRFH-KGENOOAVSA-NSynonyms
4((4((E)(246TRIOXO1PHENYL13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4((E)(246trioxo1phenyltetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzoicacid
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)C(=O)NC2=O
InChI=1SC25H18N2O6c282221(23(29)27(25(32)2622)194213519)141681220(13916)33151761018(11717)24(30)31h114H15H2(H3031)(H262832)b2114+
MFCD03994184
OC(=O)c1ccc(cc1)COc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1
ZINC000016266009
ZINC16266009
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